Monomers

Triallyl citrate

Identifiers

IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 42 41  0  0  0  0  0  0  0  0999 V2000
    0.6908    5.2097   -0.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2684    4.5241   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0692    3.5859    0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3070    2.2411    0.3560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0113    1.2949    1.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    1.6451    2.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3553   -0.1323    1.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3138   -0.6671   -0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817   -0.5834   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4854   -1.4780    0.4830 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752    0.4851   -0.6098 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8577    0.6507   -0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5951   -0.4144   -1.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3531   -0.1381   -2.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8584   -0.2146    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2926   -1.6187    0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448   -2.3989    1.7152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398   -2.0721   -0.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0601   -3.4092   -0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2922   -3.7116    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4249   -4.0699   -0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0551   -0.8560    2.2507 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7365    5.1353   -0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453    5.8969   -1.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2891    4.6501   -0.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342    3.6061    0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    3.8784    1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296   -1.7465   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0862   -0.1564   -0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2744    0.7747    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0561    1.6566   -1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5143   -1.4280   -0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4283    0.8896   -2.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9224   -0.8646   -2.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0969    0.4295    0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3807    0.2173    1.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2200   -3.5665   -1.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2408   -4.1160   -0.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2386   -3.6301    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5161   -4.1612   -1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2975   -4.2812    0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204   -1.0564    2.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
  7 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
  7 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  8 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers